Geometry & MOs

Info

ID:	197224
PubChem CID:	78938963
Reduced:	BrFNSH13C14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	251.107692
ΔH_f, kcal/mol:	-2.75
Dipole, Da:	3.66
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)SC2=CC(=CC=C2)Br)F)N

DOS

IR

Vibrations